pimpinellin
- Product Namepimpinellin
- CAS131-12-4
- CBNumberCB21331714
- MFC13H10O5
- MW246.22
- MDL NumberMFCD00597237
- MOL File131-12-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 119° |
| Boiling point | 441.0±45.0 °C(Predicted) |
| Density | 1.352±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| form | powder |
| color | Yellow |
| InChI | InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 |
| InChIKey | BQPRWZCEKZLBHL-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2C3C=COC=3C(OC)=C(OC)C=2C=C1 |
| LogP | 1.477 (est) |
| FDA UNII | D419UK1B4L |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H317 | |||||||||
| Precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501 | |||||||||
| WGK Germany | WGK 3 | |||||||||
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials | |||||||||
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral | |||||||||
| Hazardous Substances Data | 131-12-4(Hazardous Substances Data) | |||||||||
| NFPA 704: |
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